Molecule

Varioxepine A

AlkaPlorer ID: AK034788

Synonym: None

IUPAC Name: (1S,3S,15R,18R)-3-benzyl-19,19-dimethyl-6-propan-2-yl-10,16,20,21-tetraoxa-2,5,8-triazapentacyclo[16.2.1.01,15.02,7.09,15]henicosa-6,8,11,13-tetraen-4-one

Structure

SMILES: CC(C)C1=C2N=C3OC=CC=C[C@@]34OC[C@H]3O[C@@]4(OC3(C)C)N2[C@@H](CC2=CC=CC=C2)C(O)=N1

InChI: InChI=1S/C26H29N3O5/c1-16(2)20-21-28-23-25(12-8-9-13-31-23)26(33-19(15-32-25)24(3,4)34-26)29(21)18(22(30)27-20)14-17-10-6-5-7-11-17/h5-13,16,18-19H,14-15H2,1-4H3,(H,27,30)/t18-,19+,25+,26-/m0/s1

InChIKey: PZRCCRWGGJKTKC-GZLQHJCCSA-N

Reference

Varioxepine A, a 3<i>H</i>-Oxepine-Containing Alkaloid with a New Oxa-Cage from the Marine Algal-Derived Endophytic Fungus <i>Paecilomyces variotii</i>

PubChem CID: 102366731

LOTUS: LTS0177049

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NPAtlas: NPA001609

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Paecilomyces variotii	Paecilomyces	Thermoascaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 463.5340000000002

TPSA？: 85.11

MolLogP？: 3.8239000000000014

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Fusarium graminearum	Fusarium graminearum	MIC	4.0	ug.mL-1	10.1016/j.ejmech.2016.11.022